2-chloranyl-4-pentyl-8-pyrimidin-4-yl-7H-[1,2,4]triazolo[5,1-f]purin-5-one

Systemtic Name: 2-chloranyl-4-pentyl-8-pyrimidin-4-yl-7H-[1,2,4]triazolo[5,1-f]purin-5-one Openeye Name: 2-chloro-4-pentyl-8-pyrimidin-4-yl-7H-[1,2,4]triazolo[5,1-f]purin-5-one CAS Name: 2-chloro-4-pentyl-8-(4-pyrimidinyl)-7H-[1,2,4]triazolo[5,1-f]purin-5-one IUPAC Name: 2-chloro-4-pentyl-8-pyrimidin-4-yl-7H-[1,2,4]triazolo[5,1-f]purin-5-one Traditional Name: 4-amyl-2-chloro-8-(4-pyrimidyl)-7H-[1,2,4]triazolo[5,1-f]purin-5-one Formula: C15H15ClN8O MolecularWeight: 358.7856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=NC(=NC2=C3N=C(NN3C1=O)C4=NC=NC=C4)Cl

Isomeric SMILES

CCCCCN1C2=NC(=NC2=C3N=C(NN3C1=O)C4=NC=NC=C4)Cl

InChI

InChI=1S/C15H15ClN8O/c1-2-3-4-7-23-12-10(19-14(16)21-12)13-20-11(22-24(13)15(23)25)9-5-6-17-8-18-9/h5-6,8H,2-4,7H2,1H3,(H,20,22)